| Properties | Image |
MNX_ID | MNXM68879 |
 |
reference | lipidmapsM:LMSL03001059 |
formula | C144H268O16 |
global charge | 0 |
mol weight | 2255.712 |
InChIKey | RUWYHQFEAXOVNA-PEPWDXPSSA-N |
InChI | InChI=1S/C144H268O16/c1-18-23-28-33-38-43-48-53-58-62-65-70-74-79-84-89-94-99-104-119(7)109-123(11)113-127(15)140(150)157-135-130(116-145)154-143(137(134(135)148)159-142(152)129(17)115-125(13)111-121(9)106-101-96-91-86-81-76-72-67-64-60-55-50-45-40-35-30-25-20-3)160-144-138(156-132(146)107-102-97-92-87-82-77-68-57-52-47-42-37-32-27-22-5)136(158-141(151)128(16)114-124(12)110-120(8)105-100-95-90-85-80-75-71-66-63-59-54-49-44-39-34-29-24-19-2)133(147)131(155-144)117-153-139(149)126(14)112-122(10)108-118(6)103-98-93-88-83-78-73-69-61-56-51-46-41-36-31-26-21-4/h112-115,118-125,130-131,133-138,143-145,147-148H,18-111,116-117H2,1-17H3/b126-112+,127-113+,128-114+,129-115+/t118-,119-,120-,121-,122-,123-,124-,125-,130+,131+,133+,134-,135+,136-,137+,138+,143+,144+/m0/s1 |
SMILES | CCCCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)/C=C(\C)C(=O)O[C@H]1[C@@H](O[C@H]2O[C@H](COC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCC)[C@@H](O)[C@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCCC)[C@@H]1O |
MNX internals
InChI (mnx) | InChI=1/C144H268O16/c1-18-23-28-33-38-43-48-53-58-62-65-70-74-79-84-89-94-99-104-119(7)109-123(11)113-127(15)140(150)157-135-130(116-145)154-143(137(134(135)148)159-142(152)129(17)115-125(13)111-121(9)106-101-96-91-86-81-76-72-67-64-60-55-50-45-40-35-30-25-20-3)160-144-138(156-132(146)107-102-97-92-87-82-77-68-57-52-47-42-37-32-27-22-5)136(158-141(151)128(16)114-124(12)110-120(8)105-100-95-90-85-80-75-71-66-63-59-54-49-44-39-34-29-24-19-2)133(147)131(155-144)117-153-139(149)126(14)112-122(10)108-118(6)103-98-93-88-83-78-73-69-61-56-51-46-41-36-31-26-21-4/h112-115,118-125,130-131,133-138,143-145,147-148H,18-111,116-117H2,1-17H3/b126-112+,127-113+,128-114+,129-115+/t118-,119-,120-,121-,122-,123-,124-,125-,130+,131+,133+,134-,135+,136-,137+,138+,143+,144+/m0/s1 |
 |
SMILES (mnx) | [CH3:1][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH2:58][CH2:62][CH2:65][CH2:70][CH2:74][CH2:79][CH2:84][CH2:89][CH2:94][CH2:99][CH2:104][C@H:119]([CH3:7])[CH2:109][C@H:123]([CH3:11])/[CH:113]=[C:127](\[CH3:15])[C:140](=[O:150])[O:157][C@@H:135]1[C@@H:130]([CH2:116][OH:145])[O:154][C@H:143]([O:160][C@@H:144]2[C@H:138]([O:156][C:132]([CH2:107][CH2:102][CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:68][CH2:57][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:146])[C@@H:136]([O:158][C:141](/[C:128]([CH3:16])=[CH:114]/[C@@H:124]([CH3:12])[CH2:110][C@@H:120]([CH3:8])[CH2:105][CH2:100][CH2:95][CH2:90][CH2:85][CH2:80][CH2:75][CH2:71][CH2:66][CH2:63][CH2:59][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:151])[C@H:133]([OH:147])[C@@H:131]([CH2:117][O:153][C:139](/[C:126]([CH3:14])=[CH:112]/[C@@H:122]([CH3:10])[CH2:108][C@@H:118]([CH3:6])[CH2:103][CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:73][CH2:69][CH2:61][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:149])[O:155]2)[C@H:137]([O:159][C:142](/[C:129]([CH3:17])=[CH:115]/[C@@H:125]([CH3:13])[CH2:111][C@@H:121]([CH3:9])[CH2:106][CH2:101][CH2:96][CH2:91][CH2:86][CH2:81][CH2:76][CH2:72][CH2:67][CH2:64][CH2:60][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])=[O:152])[C@H:134]1[OH:148] |
|